1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione

C7H10N2O3 — CID 819272

IUPAC1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1CCO
InChIInChI=1S/C7H10N2O3/c1-5-4-6(11)8-7(12)9(5)2-3-10/h4,10H,2-3H2,1H3,(H,8,11,12)
InChIKeyXBELIOYNKVWGFG-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.16
Rot. Bonds2

About 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione

1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione (PubChem CID 819272) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
PubChem CID819272
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1CCO
InChIInChI=1S/C7H10N2O3/c1-5-4-6(11)8-7(12)9(5)2-3-10/h4,10H,2-3H2,1H3,(H,8,11,12)
InChIKeyXBELIOYNKVWGFG-UHFFFAOYSA-N
XLogP-1.16
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione (CID 819272) is 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)n1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is XBELIOYNKVWGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-4-6(11)8-7(12)9(5)2-3-10/h4,10H,2-3H2,1H3,(H,8,11,12).
What are the key properties of 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione?
1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 819272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).